5-(2-ethoxyethoxy)furan-2-carboxylic acid

C9H12O5 — CID 62205469

IUPAC5-(2-ethoxyethoxy)furan-2-carboxylic acid
SMILESCCOCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C9H12O5/c1-2-12-5-6-13-8-4-3-7(14-8)9(10)11/h3-4H,2,5-6H2,1H3,(H,10,11)
InChIKeyOMNFXNLAOZHWJD-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.39
Rot. Bonds6

About 5-(2-ethoxyethoxy)furan-2-carboxylic acid

5-(2-ethoxyethoxy)furan-2-carboxylic acid (PubChem CID 62205469) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)furan-2-carboxylic acid
PubChem CID62205469
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name5-(2-ethoxyethoxy)furan-2-carboxylic acid
SMILESCCOCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C9H12O5/c1-2-12-5-6-13-8-4-3-7(14-8)9(10)11/h3-4H,2,5-6H2,1H3,(H,10,11)
InChIKeyOMNFXNLAOZHWJD-UHFFFAOYSA-N
XLogP1.39
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
CID 62205827
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
CID 82954819
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-undec-10-enoxyfuran-2-carboxylic acid
CID 21327076
1-(5-ethoxyfuran-2-yl)ethanone
CID 67092412
1-(5-decoxyfuran-2-yl)ethanone
CID 22152433
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
sodium 5-tetradecoxyfuran-2-carboxylate
CID 70609100
5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid
CID 62205994

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(2-ethoxyethoxy)furan-2-carboxylic acid (CID 62205469) is 5-(2-ethoxyethoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyethoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyethoxy)furan-2-carboxylic acid is CCOCCOc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-ethoxyethoxy)furan-2-carboxylic acid?
The InChIKey is OMNFXNLAOZHWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-2-12-5-6-13-8-4-3-7(14-8)9(10)11/h3-4H,2,5-6H2,1H3,(H,10,11).
What are the key properties of 5-(2-ethoxyethoxy)furan-2-carboxylic acid?
5-(2-ethoxyethoxy)furan-2-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)furan-2-carboxylic acid is sourced from PubChem (CID 62205469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).